4-hydroxy-2-methyl-1,1-dioxo-N-pyrimidin-2-yl-1λ6,2-benzothiazine-3-carboxamide

C14H12N4O4S — CID 54695987

IUPAC4-hydroxy-2-methyl-1,1-dioxo-N-pyrimidin-2-yl-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ncccn2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C14H12N4O4S/c1-18-11(13(20)17-14-15-7-4-8-16-14)12(19)9-5-2-3-6-10(9)23(18,21)22/h2-8,19H,1H3,(H,15,16,17,20)
InChIKeyHEKWZJTVEQNVIX-UHFFFAOYSA-N
MW332.34 g/mol
LogP0.98
Rot. Bonds2

About 4-hydroxy-2-methyl-1,1-dioxo-N-pyrimidin-2-yl-1λ6,2-benzothiazine-3-carboxamide

4-hydroxy-2-methyl-1,1-dioxo-N-pyrimidin-2-yl-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54695987) has the molecular formula C14H12N4O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-1,1-dioxo-N-pyrimidin-2-yl-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-1,1-dioxo-N-pyrimidin-2-yl-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54695987
Molecular FormulaC14H12N4O4S
Molecular Weight332.34 g/mol
Exact Mass332.06
IUPAC Name4-hydroxy-2-methyl-1,1-dioxo-N-pyrimidin-2-yl-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ncccn2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C14H12N4O4S/c1-18-11(13(20)17-14-15-7-4-8-16-14)12(19)9-5-2-3-6-10(9)23(18,21)22/h2-8,19H,1H3,(H,15,16,17,20)
InChIKeyHEKWZJTVEQNVIX-UHFFFAOYSA-N
XLogP0.98
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-pyrimidin-2-yl-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-pyrimidin-2-yl-1λ6,2-benzothiazine-3-carboxamide (CID 54695987) is 4-hydroxy-2-methyl-1,1-dioxo-N-pyrimidin-2-yl-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-1,1-dioxo-N-pyrimidin-2-yl-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-1,1-dioxo-N-pyrimidin-2-yl-1λ6,2-benzothiazine-3-carboxamide is CN1C(C(=O)Nc2ncccn2)=C(O)c2ccccc2S1(=O)=O.
What is the InChIKey of 4-hydroxy-2-methyl-1,1-dioxo-N-pyrimidin-2-yl-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is HEKWZJTVEQNVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4S/c1-18-11(13(20)17-14-15-7-4-8-16-14)12(19)9-5-2-3-6-10(9)23(18,21)22/h2-8,19H,1H3,(H,15,16,17,20).
What are the key properties of 4-hydroxy-2-methyl-1,1-dioxo-N-pyrimidin-2-yl-1λ6,2-benzothiazine-3-carboxamide?
4-hydroxy-2-methyl-1,1-dioxo-N-pyrimidin-2-yl-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-1,1-dioxo-N-pyrimidin-2-yl-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54695987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).